N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide

C16H29N3O2 — CID 119886746

IUPACN-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCOCC1)C1CCNC1
InChIInChI=1S/C16H29N3O2/c20-15(14-4-7-17-12-14)18-13-16(5-10-21-11-6-16)19-8-2-1-3-9-19/h14,17H,1-13H2,(H,18,20)
InChIKeyCMGPDAQWZBNMRO-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.75
Rot. Bonds4

About N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide

N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 119886746) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID119886746
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCOCC1)C1CCNC1
InChIInChI=1S/C16H29N3O2/c20-15(14-4-7-17-12-14)18-13-16(5-10-21-11-6-16)19-8-2-1-3-9-19/h14,17H,1-13H2,(H,18,20)
InChIKeyCMGPDAQWZBNMRO-UHFFFAOYSA-N
XLogP0.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 63006010
N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride
CID 119903563
N-[(4-piperidin-1-yloxan-4-yl)methyl]morpholine-2-carboxamide
CID 119886734
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119887107
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119887041
N-[(4-piperidin-1-yloxan-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119886702
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 119896432
(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 131134696
4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115439966
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886673
3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 95619752

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide (CID 119886746) is N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide is O=C(NCC1(N2CCCCC2)CCOCC1)C1CCNC1.
What is the InChIKey of N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is CMGPDAQWZBNMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c20-15(14-4-7-17-12-14)18-13-16(5-10-21-11-6-16)19-8-2-1-3-9-19/h14,17H,1-13H2,(H,18,20).
What are the key properties of N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide?
N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119886746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).