[4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride

C17H31ClN4O2 — CID 119563390

IUPAC[4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2CCCN(C(=O)N3CCCC3)C2)CC1.Cl
InChIInChI=1S/C17H30N4O2.ClH/c1-18-15-6-11-19(12-7-15)16(22)14-5-4-10-21(13-14)17(23)20-8-2-3-9-20;/h14-15,18H,2-13H2,1H3;1H
InChIKeyNKNOEBJNRMJKSM-UHFFFAOYSA-N
MW358.91 g/mol
LogP1.55
Rot. Bonds2

About [4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride

[4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride (PubChem CID 119563390) has the molecular formula C17H31ClN4O2 and a molecular weight of 358.91 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
PubChem CID119563390
Molecular FormulaC17H31ClN4O2
Molecular Weight358.91 g/mol
Exact Mass358.21
IUPAC Name[4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2CCCN(C(=O)N3CCCC3)C2)CC1.Cl
InChIInChI=1S/C17H30N4O2.ClH/c1-18-15-6-11-19(12-7-15)16(22)14-5-4-10-21(13-14)17(23)20-8-2-3-9-20;/h14-15,18H,2-13H2,1H3;1H
InChIKeyNKNOEBJNRMJKSM-UHFFFAOYSA-N
XLogP1.55
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119376301
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119491186
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 119563251
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride (CID 119563390) is [4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride is CNC1CCN(C(=O)C2CCCN(C(=O)N3CCCC3)C2)CC1.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride?
The InChIKey is NKNOEBJNRMJKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2.ClH/c1-18-15-6-11-19(12-7-15)16(22)14-5-4-10-21(13-14)17(23)20-8-2-3-9-20;/h14-15,18H,2-13H2,1H3;1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride?
[4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 119563390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).