piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone

C19H29N5O — CID 53146162

IUPACpiperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cnc(N3CCCC3)nc2)CC1)N1CCCCC1
InChIInChI=1S/C19H29N5O/c25-18(23-8-2-1-3-9-23)16-6-12-22(13-7-16)17-14-20-19(21-15-17)24-10-4-5-11-24/h14-16H,1-13H2
InChIKeyQNGVPPMXSLQXMQ-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.31
Rot. Bonds3

About piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone

piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone (PubChem CID 53146162) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
PubChem CID53146162
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Namepiperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cnc(N3CCCC3)nc2)CC1)N1CCCCC1
InChIInChI=1S/C19H29N5O/c25-18(23-8-2-1-3-9-23)16-6-12-22(13-7-16)17-14-20-19(21-15-17)24-10-4-5-11-24/h14-16H,1-13H2
InChIKeyQNGVPPMXSLQXMQ-UHFFFAOYSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperidin-1-yl)-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53146160
N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146198
1-[2-(azepan-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53146285
[4-(5-bromopyrimidin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499067
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146132
[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 138386426
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
1-[2-(azepan-1-yl)pyrimidin-5-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 53146288
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183
N-(1-phenylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146134

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone (CID 53146162) is piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2cnc(N3CCCC3)nc2)CC1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
The InChIKey is QNGVPPMXSLQXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c25-18(23-8-2-1-3-9-23)16-6-12-22(13-7-16)17-14-20-19(21-15-17)24-10-4-5-11-24/h14-16H,1-13H2.
What are the key properties of piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone has a molecular weight of 343.48 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53146162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).