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

C15H30N4O — CID 120849271

IUPACN-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C15H30N4O/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)
InChIKeyNIRMDDYIWPMXLX-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.11
Rot. Bonds2

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

N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 120849271) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID120849271
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C15H30N4O/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)
InChIKeyNIRMDDYIWPMXLX-UHFFFAOYSA-N
XLogP1.11
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride
CID 120849270
N-tert-butylpiperazine-1-carboxamide;hydrochloride
CID 67462166
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid
CID 79801744
2-cyclopropyl-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61442901
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
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
(2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide
CID 124612749
N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104934

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide (CID 120849271) is N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(CC2CCNCC2)CC1.
What is the InChIKey of N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is NIRMDDYIWPMXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/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).
What are the key properties of N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide?
N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 1.11, 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 is sourced from PubChem (CID 120849271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).