N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

C16H29N3O2 — CID 115556911

IUPACN-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCN(CC2CCOC2)C1)C1CCCN1
InChIInChI=1S/C16H29N3O2/c20-16(15-4-1-6-17-15)18-9-13-3-2-7-19(10-13)11-14-5-8-21-12-14/h13-15,17H,1-12H2,(H,18,20)
InChIKeyDPBUQHWAJUKTLD-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.60
Rot. Bonds5

About N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 115556911) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID115556911
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCN(CC2CCOC2)C1)C1CCCN1
InChIInChI=1S/C16H29N3O2/c20-16(15-4-1-6-17-15)18-9-13-3-2-7-19(10-13)11-14-5-8-21-12-14/h13-15,17H,1-12H2,(H,18,20)
InChIKeyDPBUQHWAJUKTLD-UHFFFAOYSA-N
XLogP0.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(oxolan-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61179027
N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843147
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
N-[[1-(4-methylsulfanylbutyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 103089534
N-(oxan-4-ylmethyl)azocane-2-carboxamide
CID 114240145
N-methyl-1-[1-(oxolan-3-ylmethyl)piperidin-3-yl]methanamine
CID 61204128
2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
CID 62690444
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133
(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 113267408
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54927244
N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide
CID 119865355
(2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124574195

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 115556911) is N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is O=C(NCC1CCCN(CC2CCOC2)C1)C1CCCN1.
What is the InChIKey of N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is DPBUQHWAJUKTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c20-16(15-4-1-6-17-15)18-9-13-3-2-7-19(10-13)11-14-5-8-21-12-14/h13-15,17H,1-12H2,(H,18,20).
What are the key properties of N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 115556911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).