N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide

C17H35N3O — CID 106640714

IUPACN-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
SMILESCCCC(C)NC(=O)C(C)N(CCC)CC1CCCNC1
InChIInChI=1S/C17H35N3O/c1-5-8-14(3)19-17(21)15(4)20(11-6-2)13-16-9-7-10-18-12-16/h14-16,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyLWCQWECQQDJIQB-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.39
Rot. Bonds9

About N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide

N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide (PubChem CID 106640714) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
PubChem CID106640714
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
SMILESCCCC(C)NC(=O)C(C)N(CCC)CC1CCCNC1
InChIInChI=1S/C17H35N3O/c1-5-8-14(3)19-17(21)15(4)20(11-6-2)13-16-9-7-10-18-12-16/h14-16,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyLWCQWECQQDJIQB-UHFFFAOYSA-N
XLogP2.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(piperidin-3-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106636671
N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
CID 106640908
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106615213
N-butan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]acetamide
CID 106640806
2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide
CID 106636555
2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43656845
N-ethyl-N-(piperidin-3-ylmethyl)heptan-4-amine
CID 106624422
2-[2-hydroxyethyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 62014640
N-butan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304037
N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637889
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106640729

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide?
The IUPAC name of N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide (CID 106640714) is N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide.
What is the SMILES notation for N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide?
The canonical SMILES for N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide is CCCC(C)NC(=O)C(C)N(CCC)CC1CCCNC1.
What is the InChIKey of N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide?
The InChIKey is LWCQWECQQDJIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-8-14(3)19-17(21)15(4)20(11-6-2)13-16-9-7-10-18-12-16/h14-16,18H,5-13H2,1-4H3,(H,19,21).
What are the key properties of N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide?
N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide has a molecular weight of 297.49 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide is sourced from PubChem (CID 106640714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).