N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide

C22H33N3O3 — CID 87017442

IUPACN-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCCOCc1ccc(CNC(=O)CN2CCCC(C(=O)NCC3CC3)C2)cc1
InChIInChI=1S/C22H33N3O3/c1-2-28-16-19-9-7-17(8-10-19)12-23-21(26)15-25-11-3-4-20(14-25)22(27)24-13-18-5-6-18/h7-10,18,20H,2-6,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyKUWBJKXGUVASCW-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.08
Rot. Bonds10

About N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 87017442) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID87017442
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCCOCc1ccc(CNC(=O)CN2CCCC(C(=O)NCC3CC3)C2)cc1
InChIInChI=1S/C22H33N3O3/c1-2-28-16-19-9-7-17(8-10-19)12-23-21(26)15-25-11-3-4-20(14-25)22(27)24-13-18-5-6-18/h7-10,18,20H,2-6,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyKUWBJKXGUVASCW-UHFFFAOYSA-N
XLogP2.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512490
ethyl (3R)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8533086
ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532808
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 87012423
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
N-(cyclopropylmethyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 86993577
N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512579
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 111750125
(3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethyl]piperidine-3-carboxamide
CID 124786781
(3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide
CID 124786889

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide (CID 87017442) is N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide is CCOCc1ccc(CNC(=O)CN2CCCC(C(=O)NCC3CC3)C2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is KUWBJKXGUVASCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-2-28-16-19-9-7-17(8-10-19)12-23-21(26)15-25-11-3-4-20(14-25)22(27)24-13-18-5-6-18/h7-10,18,20H,2-6,11-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 2.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 87017442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).