(3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

C19H29N5O3 — CID 72874306

IUPAC(3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCc1ccnc(NCCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C19H29N5O3/c1-14-2-3-21-17(10-14)22-4-5-23-18(25)15-11-16(13-20-12-15)19(26)24-6-8-27-9-7-24/h2-3,10,15-16,20H,4-9,11-13H2,1H3,(H,21,22)(H,23,25)/t15-,16+/m1/s1
InChIKeyFOXITCSUUZSXDW-CVEARBPZSA-N
MW375.47 g/mol
LogP0.00
Rot. Bonds6

About (3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

(3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 72874306) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
PubChem CID72874306
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name(3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCc1ccnc(NCCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C19H29N5O3/c1-14-2-3-21-17(10-14)22-4-5-23-18(25)15-11-16(13-20-12-15)19(26)24-6-8-27-9-7-24/h2-3,10,15-16,20H,4-9,11-13H2,1H3,(H,21,22)(H,23,25)/t15-,16+/m1/s1
InChIKeyFOXITCSUUZSXDW-CVEARBPZSA-N
XLogP0.00
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 156605985
(3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72848218
[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 72879018
(3S,5R)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133115531
(4S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97275205
(3S,5R)-N-[3-(furan-2-ylmethylsulfanyl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133109656
(3R,5S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72935972
(3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97124753
morpholin-4-yl-(5-phenylpiperidin-3-yl)methanone
CID 166794041
(3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72847499
tert-butyl N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]carbamate
CID 115695358
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide
CID 119888082

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (CID 72874306) is (3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is Cc1ccnc(NCCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)c1.
What is the InChIKey of (3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is FOXITCSUUZSXDW-CVEARBPZSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-14-2-3-21-17(10-14)22-4-5-23-18(25)15-11-16(13-20-12-15)19(26)24-6-8-27-9-7-24/h2-3,10,15-16,20H,4-9,11-13H2,1H3,(H,21,22)(H,23,25)/t15-,16+/m1/s1.
What are the key properties of (3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
(3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72874306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).