(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone

C19H29N5O2 — CID 95217183

IUPAC(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(N[C@@H]2CCNC2)nc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C19H29N5O2/c25-19(15-1-2-18(21-13-15)22-16-3-6-20-14-16)24-7-4-17(5-8-24)23-9-11-26-12-10-23/h1-2,13,16-17,20H,3-12,14H2,(H,21,22)/t16-/m1/s1
InChIKeyDOPKQNUKEBNGQZ-MRXNPFEDSA-N
MW359.47 g/mol
LogP0.79
Rot. Bonds4

About (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone

(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone (PubChem CID 95217183) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone
PubChem CID95217183
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(N[C@@H]2CCNC2)nc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C19H29N5O2/c25-19(15-1-2-18(21-13-15)22-16-3-6-20-14-16)24-7-4-17(5-8-24)23-9-11-26-12-10-23/h1-2,13,16-17,20H,3-12,14H2,(H,21,22)/t16-/m1/s1
InChIKeyDOPKQNUKEBNGQZ-MRXNPFEDSA-N
XLogP0.79
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone with MolForge

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Dipyridodiazepinone deriv. 21
CID 463148
Dipyridodiazepinone deriv. 23
CID 463150
Dipyridodiazepinone deriv. 26
CID 463546
Dipyridodiazepinone deriv. 35
CID 463555
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
Dipyridodiazepinone deriv. 20
CID 463147
Nevirapin 4-substituted deriv. 4k
CID 464531
Nevirapin 4-substituted deriv. 4n
CID 464534
N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10764021
N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980349
4-[4-(morpholine-4-carbonyl)anilino]-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118043323

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone?
The IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone (CID 95217183) is (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone.
What is the SMILES notation for (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone?
The canonical SMILES for (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone is O=C(c1ccc(N[C@@H]2CCNC2)nc1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone?
The InChIKey is DOPKQNUKEBNGQZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-19(15-1-2-18(21-13-15)22-16-3-6-20-14-16)24-7-4-17(5-8-24)23-9-11-26-12-10-23/h1-2,13,16-17,20H,3-12,14H2,(H,21,22)/t16-/m1/s1.
What are the key properties of (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone?
(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone has a molecular weight of 359.47 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 95217183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).