N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride

C15H31ClN4O — CID 120849270

IUPACN-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)N1CCN(CC2CCNCC2)CC1.Cl
InChIInChI=1S/C15H30N4O.ClH/c1-15(2,3)17-14(20)19-10-8-18(9-11-19)12-13-4-6-16-7-5-13;/h13,16H,4-12H2,1-3H3,(H,17,20);1H
InChIKeyFNRBEUJATYAELF-UHFFFAOYSA-N
MW318.89 g/mol
LogP1.53
Rot. Bonds2

About N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride

N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 120849270) has the molecular formula C15H31ClN4O and a molecular weight of 318.89 g/mol. Its IUPAC name is N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride
PubChem CID120849270
Molecular FormulaC15H31ClN4O
Molecular Weight318.89 g/mol
Exact Mass318.22
IUPAC NameN-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)N1CCN(CC2CCNCC2)CC1.Cl
InChIInChI=1S/C15H30N4O.ClH/c1-15(2,3)17-14(20)19-10-8-18(9-11-19)12-13-4-6-16-7-5-13;/h13,16H,4-12H2,1-3H3,(H,17,20);1H
InChIKeyFNRBEUJATYAELF-UHFFFAOYSA-N
XLogP1.53
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide
CID 120849271
N-tert-butylpiperazine-1-carboxamide;hydrochloride
CID 67462166
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61442901
2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid
CID 79801744
N-tert-butyl-2-(piperidin-4-ylmethylamino)acetamide
CID 115356303
1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 172604358
(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
CID 119930695
1-ethylsulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119930045
(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931058

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride (CID 120849270) is N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride is CC(C)(C)NC(=O)N1CCN(CC2CCNCC2)CC1.Cl.
What is the InChIKey of N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is FNRBEUJATYAELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.ClH/c1-15(2,3)17-14(20)19-10-8-18(9-11-19)12-13-4-6-16-7-5-13;/h13,16H,4-12H2,1-3H3,(H,17,20);1H.
What are the key properties of N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride?
N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 120849270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).